Study : bsu04440 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


Binding Site Number :C3_S1
Best Complexes choosen after comparative docking [pKd > 3] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: SIN_A_3(4OVS) / Model_3(4OVS/A) = [3.5] Download233.0723.42MKSLLACLALMIAGIATALFIGFHDHTGNKKIVYDDDQEGLQDQIVFKFSHVVAENTPKGLAANKFADLVNEKSGGKIKIEVFPNGSLYSDIEEIEALQNGDVQFIAPSTSKLGMLSPEWGVLDLPYAFTDYNAVKKGLNGSIGTQLFDSLKKNQLKGLAYWTNGFKQITTNQGPVKTPDDLKGQDLRIMQSDVIEDQFKLLGATPHQESFNSTFQLLENNVVDGEENTISNIYSKKFYNVQDYLTISSHGYLGYAVMTDEHFWKAQTPETRRILTEAMKETTEWNETYAEQMNKEQLEEIKKNSAIHIYELSDKEKQEWMKRLDPVYRQYEPIFGRELIRELLELRKDS
Complex: SIN_A_2(4MX6) / Model_2(4MX6/A) = [4.1] Download207.7122.24MKSLLACLALMIAGIATALFIGFHDHTGNKKIVYDDDQEGLQDQIVFKFSHVVAENTPKGLAANKFADLVNEKSGGKIKIEVFPNGSLYSDIEEIEALQNGDVQFIAPSTSKLGMLSPEWGVLDLPYAFTDYNAVKKGLNGSIGTQLFDSLKKNQLKGLAYWTNGFKQITTNQGPVKTPDDLKGQDLRIMQSDVIEDQFKLLGATPHQESFNSTFQLLENNVVDGEENTISNIYSKKFYNVQDYLTISSHGYLGYAVMTDEHFWKAQTPETRRILTEAMKETTEWNETYAEQMNKEQLEEIKKNSAIHIYELSDKEKQEWMKRLDPVYRQYEPIFGRELIRELLELRKDS
Complex: SIN_A_2(4MX6) / Model_68(4MX6/A) = [4.1] Download218.3322.24MKSLLACLALMIAGIATALFIGFHDHTGNKKIVYDDDQEGLQDQIVFKFSHVVAENTPKGLAANKFADLVNEKSGGKIKIEVFPNGSLYSDIEEIEALQNGDVQFIAPSTSKLGMLSPEWGVLDLPYAFTDYNAVKKGLNGSIGTQLFDSLKKNQLKGLAYWTNGFKQITTNQGPVKTPDDLKGQDLRIMQSDVIEDQFKLLGATPHQESFNSTFQLLENNVVDGEENTISNIYSKKFYNVQDYLTISSHGYLGYAVMTDEHFWKAQTPETRRILTEAMKETTEWNETYAEQMNKEQLEEIKKNSAIHIYELSDKEKQEWMKRLDPVYRQYEPIFGRELIRELLELRKDS
Consensus
[pKd Mean = 3.90]
-219
(s=10)
22
(s=0)
MKSLLACLALMIAGIATALFIGFHDHTGNKKIVYDDDQEGLQDQIVFKFSHVVAENTPKGLAANKFADLVNEKSGGKIKIEVFPNGSLYSDIEEIEALQNGDVQFIAPSTSKLGMLSPEWGVLDLPYAFTDYNAVKKGLNGSIGTQLFDSLKKNQLKGLAYWTNGFKQITTNQGPVKTPDDLKGQDLRIMQSDVIEDQFKLLGATPHQESFNSTFQLLENNVVDGEENTISNIYSKKFYNVQDYLTISSHGYLGYAVMTDEHFWKAQTPETRRILTEAMKETTEWNETYAEQMNKEQLEEIKKNSAIHIYELSDKEKQEWMKRLDPVYRQYEPIFGRELIRELLELRKDS